5-Methylsalicylaldehyde
Properties
- Molecular formula
- C8H8O2
- Molar mass
- 136.15 g/mol
- Exact mass
- 136.0524 Da
- Melting point
- 56 °C
- Boiling point
- 217.5 °C
- logP
- 1.51Crippen estimate
- Polar surface area
- 37.3 Ų
- H-bond donors / acceptors
- 1 / 2
- Rotatable bonds
- 1
Hazards
Warning
- H315 Causes skin irritation100% of notifiers
- H319 Causes serious eye irritation100% of notifiers
- H335 May cause respiratory irritation97.7% of notifiers
Aggregated from 43 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501
Identifiers
CAS number
613-84-3SMILES
Cc1ccc(O)c(C=O)c1InChIKey
ILEIUTCVWLYZOM-UHFFFAOYSA-NInChI
InChI=1S/C8H8O2/c1-6-2-3-8(10)7(4-6)5-9/h2-5,10H,1H3Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
6 names
- Benzaldehyde, 2-hydroxy-5-methyl-
- 2,5-Cresotaldehyde
- 2-Hydroxy-5-methylbenzaldehyde
- 5-Methyl-2-hydroxybenzaldehyde
- 2-Formyl-4-methylphenol
- NSC 97517
Work with 5-Methylsalicylaldehyde
Predict the NMR spectrum1H and 13C shifts with multiplicities
Make a solutionWhat to weigh for any molarity and volume
Check drug-likenessLipinski, Veber and lead-likeness
Boiling point under vacuumAt any pressure, from its normal boiling point
Isotope patternExact mass and the mass spectrum pattern
Similar compounds
2-Hydroxy-4-methylbenzaldehyde698-27-175 % similar
2,5-Dihydroxybenzaldehyde1194-98-560 % similar
2,4-Dimethylbenzaldehyde15764-16-660 % similar
4-Hydroxyisophthalaldehyde3328-70-960 % similar
2,5-Dimethylbenzaldehyde5779-94-260 % similar
Diformylcresol7310-95-457 % similar
2-Fluoro-4-methylbenzaldehyde146137-80-656 % similar
5-Bromosalicylaldehyde1761-61-156 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.